| Phytochemical Name : Yatein |
| PCNDIDY0004 |
| Pubchem CID : 442835 |
| Molecular formula: C22H24O7 |
| Canonical SMILES : COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
Synonymes : Yatein|40456-50-6|(-)-yatein|Dihydroanhydropodorhizol|(-)-deoxypodorhizone|Deoxypodorhizone|CHEBI:4553|CHEMBL471067|2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-, trans-(-)-|(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|(3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one|2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-|AC1L9DHE|Deoxypodorhizon|YTN|D01FBL|SCHEMBL1037807|DTXSID50193471|HY-N1060|BDBM50241524|AKOS032948829|MS-26796|RD4-6277|CS-0016340|Q27106408|(-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone|(3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one|(3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone|(3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|(3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one|(3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3R-trans)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.190 |
| Log Po/w (XLOGP3) : 3.750 |
| Log Po/w (WLOGP) : 3.020 |
| Log Po/w (MLOGP) : 2.210 |
| Log Po/w (SILICOS-IT) : 4.340 |
| Consensus Log Po/w : 3.300 |